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Trends in ferromagnetism in Mn-doped dilute III-V alloys from a density functional perspective
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.ORCID iD: 0000-0002-9050-5445
2009 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 79, no 19Article in journal (Refereed) Published
Abstract [en]

Mn doping in dilute III-V alloys has been examined as a route to enhance ferromagnetic stability. Strong valence-band bowing is expected at the dilute limit, implying a strong modification of the ferromagnetic stability upon alloying with even an increase in some cases. Using first-principles electronic structure calculations we show that while codoping with a group V anion enhances the ferromagnetic stability in some cases when the effects of relaxation of the lattice are not considered, strong impurity scattering in the relaxed structure result in a reduction in the ferromagnetic stability.

Place, publisher, year, edition, pages
2009. Vol. 79, no 19
Keyword [en]
density functional theory, doping profiles, ferromagnetic relaxation, gallium arsenide, III-V semiconductors, manganese, semiconductor, doping, semimagnetic semiconductors, valence bands, total-energy calculations, wave basis-set, temperature ferromagnetism, semiconductors
URN: urn:nbn:se:kth:diva-18468DOI: 10.1103/PhysRevB.79.195211ISI: 000266501300072ScopusID: 2-s2.0-67649513512OAI: diva2:336515
QC 20100525Available from: 2010-08-05 Created: 2010-08-05 Last updated: 2010-12-17Bibliographically approved

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